Materials Data on Y3GaCo3 by Materials Project

doi:10.17188/1196944

Title: Materials Data on Y3GaCo3 by Materials Project

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Abstract

Y3Co3Ga crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Y sites. In the first Y site, Y is bonded in a 9-coordinate geometry to seven Co and two equivalent Ga atoms. There are a spread of Y–Co bond distances ranging from 2.84–3.03 Å. Both Y–Ga bond lengths are 3.22 Å. In the second Y site, Y is bonded in a 9-coordinate geometry to six Co and three equivalent Ga atoms. There are a spread of Y–Co bond distances ranging from 2.86–2.96 Å. There are one shorter (3.19 Å) and two longer (3.22 Å) Y–Ga bond lengths. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 9-coordinate geometry to seven Y and two equivalent Co atoms. Both Co–Co bond lengths are 2.29 Å. In the second Co site, Co is bonded in a 9-coordinate geometry to six Y, one Co, and two equivalent Ga atoms. Both Co–Ga bond lengths are 2.54 Å. Ga is bonded to eight Y and four equivalent Co atoms to form a mixture of corner, edge, and face-sharing GaY8Co4 cuboctahedra.

Authors:: The Materials Project

Publication Date:: Wed Jul 15 00:00:00 EDT 2020

Other Number(s):: mp-21491

DOE Contract Number:: AC02-05CH11231; EDCBEE

Research Org.:: Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Collaborations:: MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE

Keywords:: crystal structure; Y3GaCo3; Co-Ga-Y

OSTI Identifier:: 1196944

DOI:: https://doi.org/10.17188/1196944

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                    The Materials Project. Materials Data on Y3GaCo3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1196944.

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                    The Materials Project. Materials Data on Y3GaCo3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1196944

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                    The Materials Project. 2020.  
"Materials Data on Y3GaCo3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1196944.  https://www.osti.gov/servlets/purl/1196944. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1196944,

  title        = {Materials Data on Y3GaCo3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Y3Co3Ga crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Y sites. In the first Y site, Y is bonded in a 9-coordinate geometry to seven Co and two equivalent Ga atoms. There are a spread of Y–Co bond distances ranging from 2.84–3.03 Å. Both Y–Ga bond lengths are 3.22 Å. In the second Y site, Y is bonded in a 9-coordinate geometry to six Co and three equivalent Ga atoms. There are a spread of Y–Co bond distances ranging from 2.86–2.96 Å. There are one shorter (3.19 Å) and two longer (3.22 Å) Y–Ga bond lengths. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 9-coordinate geometry to seven Y and two equivalent Co atoms. Both Co–Co bond lengths are 2.29 Å. In the second Co site, Co is bonded in a 9-coordinate geometry to six Y, one Co, and two equivalent Ga atoms. Both Co–Ga bond lengths are 2.54 Å. Ga is bonded to eight Y and four equivalent Co atoms to form a mixture of corner, edge, and face-sharing GaY8Co4 cuboctahedra.},

  doi          = {10.17188/1196944},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 15 00:00:00 EDT 2020},

  month        = {Wed Jul 15 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1196944

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